2-(4-methoxy-3-octoxyphenyl)ethanamine

C17H29NO2 — CID 60905213

IUPAC2-(4-methoxy-3-octoxyphenyl)ethanamine
SMILESCCCCCCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-13-20-17-14-15(11-12-18)9-10-16(17)19-2/h9-10,14H,3-8,11-13,18H2,1-2H3
InChIKeyOSUGCRGCNPDHKR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 2-(4-methoxy-3-octoxyphenyl)ethanamine

2-(4-methoxy-3-octoxyphenyl)ethanamine (PubChem CID 60905213) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-octoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-octoxyphenyl)ethanamine
PubChem CID60905213
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(4-methoxy-3-octoxyphenyl)ethanamine
SMILESCCCCCCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-13-20-17-14-15(11-12-18)9-10-16(17)19-2/h9-10,14H,3-8,11-13,18H2,1-2H3
InChIKeyOSUGCRGCNPDHKR-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-octoxyphenyl)ethanamine?
The IUPAC name of 2-(4-methoxy-3-octoxyphenyl)ethanamine (CID 60905213) is 2-(4-methoxy-3-octoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-octoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3-octoxyphenyl)ethanamine is CCCCCCCCOc1cc(CCN)ccc1OC.
What is the InChIKey of 2-(4-methoxy-3-octoxyphenyl)ethanamine?
The InChIKey is OSUGCRGCNPDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-13-20-17-14-15(11-12-18)9-10-16(17)19-2/h9-10,14H,3-8,11-13,18H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-octoxyphenyl)ethanamine?
2-(4-methoxy-3-octoxyphenyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-octoxyphenyl)ethanamine is sourced from PubChem (CID 60905213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).